2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid

C17H19N5O4 — CID 120697880

IUPAC2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCc1ccc(N2CC(C(=O)NCc3cn(CC(=O)O)nn3)CC2=O)cc1
InChIInChI=1S/C17H19N5O4/c1-11-2-4-14(5-3-11)22-8-12(6-15(22)23)17(26)18-7-13-9-21(20-19-13)10-16(24)25/h2-5,9,12H,6-8,10H2,1H3,(H,18,26)(H,24,25)
InChIKeyQXDSGZOIMLRNNZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.34
Rot. Bonds6

About 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120697880) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID120697880
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCc1ccc(N2CC(C(=O)NCc3cn(CC(=O)O)nn3)CC2=O)cc1
InChIInChI=1S/C17H19N5O4/c1-11-2-4-14(5-3-11)22-8-12(6-15(22)23)17(26)18-7-13-9-21(20-19-13)10-16(24)25/h2-5,9,12H,6-8,10H2,1H3,(H,18,26)(H,24,25)
InChIKeyQXDSGZOIMLRNNZ-UHFFFAOYSA-N
XLogP0.34
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
1-(4-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122352811
1-(4-hydroxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 74240649
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
3-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108745437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid (CID 120697880) is 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid is Cc1ccc(N2CC(C(=O)NCc3cn(CC(=O)O)nn3)CC2=O)cc1.
What is the InChIKey of 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is QXDSGZOIMLRNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-11-2-4-14(5-3-11)22-8-12(6-15(22)23)17(26)18-7-13-9-21(20-19-13)10-16(24)25/h2-5,9,12H,6-8,10H2,1H3,(H,18,26)(H,24,25).
What are the key properties of 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 357.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120697880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).